2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

C21H21N3O — CID 135315908

IUPAC2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-20(2)15-21(20,16-9-5-3-6-10-16)19(25)22-18-13-14-24(23-18)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3,(H,22,23,25)
InChIKeyUNMRNGCCQURBSY-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.18
Rot. Bonds4

About 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 135315908) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID135315908
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-20(2)15-21(20,16-9-5-3-6-10-16)19(25)22-18-13-14-24(23-18)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3,(H,22,23,25)
InChIKeyUNMRNGCCQURBSY-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 135315908) is 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is CC1(C)CC1(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is UNMRNGCCQURBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-20(2)15-21(20,16-9-5-3-6-10-16)19(25)22-18-13-14-24(23-18)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3,(H,22,23,25).
What are the key properties of 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135315908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).